USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.0297 K(o=0.03,f=-4.3!) USER MOD Single : A 7 THR OG1 : rot 161:sc= 0.608 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.02) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.02) USER MOD Single : A 28 ASN : amide:sc= 0.71 K(o=0.71,f=-0.25) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.251 -7.441 5.353 1.00 0.00 N ATOM 2 CA GLY A 1 23.374 -6.498 6.073 1.00 0.00 C ATOM 3 C GLY A 1 21.930 -6.620 5.599 1.00 0.00 C ATOM 4 O GLY A 1 21.283 -7.649 5.828 1.00 0.00 O ATOM 0 H1 GLY A 1 25.228 -7.337 5.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.927 -8.415 5.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.218 -7.237 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.426 -6.694 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.726 -5.478 5.918 1.00 0.00 H new ATOM 10 N SER A 2 21.417 -5.578 4.935 1.00 0.00 N ATOM 11 CA SER A 2 20.041 -5.484 4.448 1.00 0.00 C ATOM 12 C SER A 2 20.036 -4.752 3.099 1.00 0.00 C ATOM 13 O SER A 2 20.992 -4.039 2.774 1.00 0.00 O ATOM 14 CB SER A 2 19.181 -4.725 5.476 1.00 0.00 C ATOM 15 OG SER A 2 19.252 -5.316 6.767 1.00 0.00 O ATOM 0 H SER A 2 21.970 -4.749 4.716 1.00 0.00 H new ATOM 0 HA SER A 2 19.623 -6.482 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.513 -3.688 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.144 -4.709 5.141 1.00 0.00 H new ATOM 0 HG SER A 2 18.695 -4.806 7.391 1.00 0.00 H new ATOM 21 N GLY A 3 18.959 -4.906 2.322 1.00 0.00 N ATOM 22 CA GLY A 3 18.851 -4.360 0.970 1.00 0.00 C ATOM 23 C GLY A 3 17.408 -4.048 0.573 1.00 0.00 C ATOM 24 O GLY A 3 17.093 -4.036 -0.619 1.00 0.00 O ATOM 0 H GLY A 3 18.130 -5.420 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.447 -3.450 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.273 -5.072 0.260 1.00 0.00 H new ATOM 28 N GLN A 4 16.523 -3.820 1.552 1.00 0.00 N ATOM 29 CA GLN A 4 15.167 -3.331 1.308 1.00 0.00 C ATOM 30 C GLN A 4 15.252 -1.950 0.647 1.00 0.00 C ATOM 31 O GLN A 4 16.176 -1.186 0.942 1.00 0.00 O ATOM 32 CB GLN A 4 14.409 -3.290 2.653 1.00 0.00 C ATOM 33 CG GLN A 4 12.935 -2.849 2.583 1.00 0.00 C ATOM 34 CD GLN A 4 12.087 -3.755 1.689 1.00 0.00 C ATOM 35 OE1 GLN A 4 12.132 -3.651 0.466 1.00 0.00 O ATOM 36 NE2 GLN A 4 11.310 -4.660 2.262 1.00 0.00 N ATOM 0 H GLN A 4 16.732 -3.971 2.539 1.00 0.00 H new ATOM 0 HA GLN A 4 14.620 -3.990 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.450 -4.283 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.938 -2.615 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.514 -2.842 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.884 -1.826 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.281 -4.737 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.740 -5.281 1.687 1.00 0.00 H new ATOM 45 N VAL A 5 14.280 -1.593 -0.195 1.00 0.00 N ATOM 46 CA VAL A 5 14.177 -0.252 -0.765 1.00 0.00 C ATOM 47 C VAL A 5 12.701 0.157 -0.747 1.00 0.00 C ATOM 48 O VAL A 5 11.813 -0.615 -1.110 1.00 0.00 O ATOM 49 CB VAL A 5 14.785 -0.159 -2.185 1.00 0.00 C ATOM 50 CG1 VAL A 5 14.989 1.312 -2.588 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.141 -0.870 -2.331 1.00 0.00 C ATOM 0 H VAL A 5 13.542 -2.228 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 5 14.763 0.440 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 5 14.067 -0.660 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.417 1.359 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.029 1.828 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.665 1.792 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.501 -0.760 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.861 -0.426 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.023 -1.929 -2.100 1.00 0.00 H new ATOM 61 N ARG A 6 12.476 1.399 -0.329 1.00 0.00 N ATOM 62 CA ARG A 6 11.242 2.175 -0.369 1.00 0.00 C ATOM 63 C ARG A 6 11.709 3.606 -0.637 1.00 0.00 C ATOM 64 O ARG A 6 12.876 3.909 -0.373 1.00 0.00 O ATOM 65 CB ARG A 6 10.513 2.112 0.993 1.00 0.00 C ATOM 66 CG ARG A 6 9.643 0.860 1.204 1.00 0.00 C ATOM 67 CD ARG A 6 9.336 0.589 2.686 1.00 0.00 C ATOM 68 NE ARG A 6 8.851 1.780 3.418 1.00 0.00 N ATOM 69 CZ ARG A 6 8.962 1.979 4.741 1.00 0.00 C ATOM 70 NH1 ARG A 6 9.449 1.031 5.534 1.00 0.00 N ATOM 71 NH2 ARG A 6 8.587 3.134 5.278 1.00 0.00 N ATOM 0 H ARG A 6 13.232 1.942 0.089 1.00 0.00 H new ATOM 0 HA ARG A 6 10.545 1.803 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.256 2.159 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.883 2.996 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.706 0.979 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.151 -0.006 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.587 -0.200 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.237 0.216 3.173 1.00 0.00 H new ATOM 0 HE ARG A 6 8.394 2.511 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.744 0.138 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.528 1.196 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.213 3.875 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.673 3.281 6.284 1.00 0.00 H new ATOM 85 N THR A 7 10.817 4.467 -1.112 1.00 0.00 N ATOM 86 CA THR A 7 11.013 5.909 -1.230 1.00 0.00 C ATOM 87 C THR A 7 9.685 6.543 -0.819 1.00 0.00 C ATOM 88 O THR A 7 8.622 5.924 -0.945 1.00 0.00 O ATOM 89 CB THR A 7 11.447 6.291 -2.660 1.00 0.00 C ATOM 90 OG1 THR A 7 12.556 5.509 -3.069 1.00 0.00 O ATOM 91 CG2 THR A 7 11.866 7.761 -2.783 1.00 0.00 C ATOM 0 H THR A 7 9.898 4.168 -1.440 1.00 0.00 H new ATOM 0 HA THR A 7 11.816 6.271 -0.588 1.00 0.00 H new ATOM 0 HB THR A 7 10.575 6.112 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.630 5.532 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.161 7.970 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.029 8.402 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.707 7.957 -2.118 1.00 0.00 H new ATOM 99 N ILE A 8 9.761 7.763 -0.295 1.00 0.00 N ATOM 100 CA ILE A 8 8.643 8.452 0.353 1.00 0.00 C ATOM 101 C ILE A 8 8.469 9.837 -0.289 1.00 0.00 C ATOM 102 O ILE A 8 9.369 10.316 -0.981 1.00 0.00 O ATOM 103 CB ILE A 8 8.853 8.484 1.896 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.706 9.674 2.361 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.473 7.167 2.411 1.00 0.00 C ATOM 106 CD1 ILE A 8 9.803 9.749 3.881 1.00 0.00 C ATOM 0 H ILE A 8 10.619 8.314 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 8 7.708 7.914 0.198 1.00 0.00 H new ATOM 0 HB ILE A 8 7.858 8.604 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.707 9.590 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.275 10.600 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.605 7.225 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.811 6.335 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.441 7.010 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.415 10.605 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.805 9.861 4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.259 8.835 4.262 1.00 0.00 H new ATOM 118 N TRP A 9 7.331 10.488 -0.032 1.00 0.00 N ATOM 119 CA TRP A 9 7.000 11.800 -0.589 1.00 0.00 C ATOM 120 C TRP A 9 6.250 12.633 0.464 1.00 0.00 C ATOM 121 O TRP A 9 5.242 13.280 0.179 1.00 0.00 O ATOM 122 CB TRP A 9 6.262 11.624 -1.933 1.00 0.00 C ATOM 123 CG TRP A 9 6.790 12.452 -3.070 1.00 0.00 C ATOM 124 CD1 TRP A 9 7.512 11.963 -4.102 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.693 13.894 -3.307 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.817 12.977 -4.987 1.00 0.00 N ATOM 127 CE2 TRP A 9 7.346 14.194 -4.543 1.00 0.00 C ATOM 128 CE3 TRP A 9 6.142 14.987 -2.603 1.00 0.00 C ATOM 129 CZ2 TRP A 9 7.420 15.499 -5.059 1.00 0.00 C ATOM 130 CZ3 TRP A 9 6.242 16.304 -3.091 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.869 16.561 -4.323 1.00 0.00 C ATOM 0 H TRP A 9 6.605 10.112 0.577 1.00 0.00 H new ATOM 0 HA TRP A 9 7.899 12.370 -0.825 1.00 0.00 H new ATOM 0 HB2 TRP A 9 6.308 10.573 -2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.210 11.868 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.807 10.931 -4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.327 12.843 -5.860 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.632 14.809 -1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.895 15.683 -6.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.835 17.122 -2.515 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.927 17.571 -4.702 1.00 0.00 H new ATOM 142 N VAL A 10 6.696 12.556 1.721 1.00 0.00 N ATOM 143 CA VAL A 10 6.101 13.326 2.808 1.00 0.00 C ATOM 144 C VAL A 10 6.423 14.815 2.613 1.00 0.00 C ATOM 145 O VAL A 10 7.520 15.174 2.166 1.00 0.00 O ATOM 146 CB VAL A 10 6.554 12.782 4.180 1.00 0.00 C ATOM 147 CG1 VAL A 10 6.106 11.322 4.367 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.065 12.884 4.413 1.00 0.00 C ATOM 0 H VAL A 10 7.474 11.962 2.009 1.00 0.00 H new ATOM 0 HA VAL A 10 5.016 13.220 2.788 1.00 0.00 H new ATOM 0 HB VAL A 10 6.071 13.420 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.437 10.962 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.019 11.265 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.544 10.704 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.309 12.483 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.591 12.313 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.372 13.929 4.361 1.00 0.00 H new ATOM 158 N GLY A 11 5.470 15.679 2.970 1.00 0.00 N ATOM 159 CA GLY A 11 5.614 17.126 2.867 1.00 0.00 C ATOM 160 C GLY A 11 4.530 17.880 3.636 1.00 0.00 C ATOM 161 O GLY A 11 4.119 18.962 3.214 1.00 0.00 O ATOM 0 H GLY A 11 4.567 15.386 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.593 17.418 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.579 17.417 1.817 1.00 0.00 H new ATOM 165 N GLY A 12 4.033 17.304 4.735 1.00 0.00 N ATOM 166 CA GLY A 12 2.982 17.905 5.555 1.00 0.00 C ATOM 167 C GLY A 12 2.663 17.079 6.801 1.00 0.00 C ATOM 168 O GLY A 12 1.528 17.107 7.280 1.00 0.00 O ATOM 0 H GLY A 12 4.353 16.400 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.290 18.906 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.078 18.016 4.956 1.00 0.00 H new ATOM 172 N THR A 13 3.635 16.311 7.299 1.00 0.00 N ATOM 173 CA THR A 13 3.464 15.304 8.345 1.00 0.00 C ATOM 174 C THR A 13 4.723 15.313 9.233 1.00 0.00 C ATOM 175 O THR A 13 5.434 14.308 9.304 1.00 0.00 O ATOM 176 CB THR A 13 3.178 13.933 7.686 1.00 0.00 C ATOM 177 OG1 THR A 13 4.058 13.696 6.601 1.00 0.00 O ATOM 178 CG2 THR A 13 1.751 13.827 7.135 1.00 0.00 C ATOM 0 H THR A 13 4.599 16.377 6.971 1.00 0.00 H new ATOM 0 HA THR A 13 2.611 15.522 8.988 1.00 0.00 H new ATOM 0 HB THR A 13 3.319 13.198 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.858 12.823 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.607 12.845 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.036 13.962 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.594 14.598 6.381 1.00 0.00 H new ATOM 186 N PRO A 14 5.062 16.449 9.878 1.00 0.00 N ATOM 187 CA PRO A 14 6.344 16.615 10.559 1.00 0.00 C ATOM 188 C PRO A 14 6.542 15.631 11.716 1.00 0.00 C ATOM 189 O PRO A 14 7.678 15.292 12.040 1.00 0.00 O ATOM 190 CB PRO A 14 6.381 18.073 11.028 1.00 0.00 C ATOM 191 CG PRO A 14 4.907 18.457 11.143 1.00 0.00 C ATOM 192 CD PRO A 14 4.259 17.658 10.015 1.00 0.00 C ATOM 0 HA PRO A 14 7.168 16.392 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.896 18.173 11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.906 18.709 10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.494 18.190 12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.758 19.529 11.017 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.223 17.415 10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.249 18.229 9.086 1.00 0.00 H new ATOM 200 N GLU A 15 5.459 15.140 12.327 1.00 0.00 N ATOM 201 CA GLU A 15 5.549 14.163 13.403 1.00 0.00 C ATOM 202 C GLU A 15 5.985 12.794 12.866 1.00 0.00 C ATOM 203 O GLU A 15 6.668 12.054 13.571 1.00 0.00 O ATOM 204 CB GLU A 15 4.207 14.050 14.144 1.00 0.00 C ATOM 205 CG GLU A 15 3.778 15.349 14.849 1.00 0.00 C ATOM 206 CD GLU A 15 4.812 15.859 15.871 1.00 0.00 C ATOM 207 OE1 GLU A 15 5.232 15.081 16.758 1.00 0.00 O ATOM 208 OE2 GLU A 15 5.194 17.050 15.811 1.00 0.00 O ATOM 0 H GLU A 15 4.505 15.410 12.088 1.00 0.00 H new ATOM 0 HA GLU A 15 6.305 14.506 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.433 13.760 13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.276 13.252 14.883 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.607 16.122 14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.828 15.182 15.357 1.00 0.00 H new ATOM 215 N GLU A 16 5.639 12.443 11.622 1.00 0.00 N ATOM 216 CA GLU A 16 5.961 11.122 11.085 1.00 0.00 C ATOM 217 C GLU A 16 7.440 11.017 10.715 1.00 0.00 C ATOM 218 O GLU A 16 7.982 9.913 10.695 1.00 0.00 O ATOM 219 CB GLU A 16 5.044 10.752 9.911 1.00 0.00 C ATOM 220 CG GLU A 16 3.582 10.663 10.378 1.00 0.00 C ATOM 221 CD GLU A 16 2.732 9.779 9.453 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.165 10.283 8.458 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.610 8.566 9.740 1.00 0.00 O ATOM 0 H GLU A 16 5.140 13.053 10.975 1.00 0.00 H new ATOM 0 HA GLU A 16 5.776 10.391 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.135 11.498 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.355 9.798 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.549 10.263 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.153 11.664 10.417 1.00 0.00 H new ATOM 230 N LEU A 17 8.132 12.145 10.533 1.00 0.00 N ATOM 231 CA LEU A 17 9.585 12.201 10.390 1.00 0.00 C ATOM 232 C LEU A 17 10.269 11.472 11.549 1.00 0.00 C ATOM 233 O LEU A 17 11.316 10.867 11.340 1.00 0.00 O ATOM 234 CB LEU A 17 10.081 13.659 10.338 1.00 0.00 C ATOM 235 CG LEU A 17 9.444 14.542 9.246 1.00 0.00 C ATOM 236 CD1 LEU A 17 9.971 15.976 9.360 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.727 14.015 7.839 1.00 0.00 C ATOM 0 H LEU A 17 7.687 13.061 10.480 1.00 0.00 H new ATOM 0 HA LEU A 17 9.843 11.708 9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.896 14.121 11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.161 13.651 10.189 1.00 0.00 H new ATOM 0 HG LEU A 17 8.366 14.521 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.516 16.593 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.718 16.380 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.054 15.977 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.258 14.670 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.803 13.991 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.321 13.008 7.739 1.00 0.00 H new ATOM 249 N LYS A 18 9.671 11.461 12.749 1.00 0.00 N ATOM 250 CA LYS A 18 10.229 10.747 13.900 1.00 0.00 C ATOM 251 C LYS A 18 10.302 9.240 13.642 1.00 0.00 C ATOM 252 O LYS A 18 11.216 8.587 14.146 1.00 0.00 O ATOM 253 CB LYS A 18 9.396 11.022 15.165 1.00 0.00 C ATOM 254 CG LYS A 18 9.306 12.520 15.519 1.00 0.00 C ATOM 255 CD LYS A 18 8.514 12.811 16.804 1.00 0.00 C ATOM 256 CE LYS A 18 7.114 12.179 16.797 1.00 0.00 C ATOM 257 NZ LYS A 18 6.230 12.746 17.842 1.00 0.00 N ATOM 0 H LYS A 18 8.794 11.943 12.945 1.00 0.00 H new ATOM 0 HA LYS A 18 11.243 11.116 14.054 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.390 10.628 15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.834 10.482 16.005 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.315 12.919 15.628 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.841 13.052 14.689 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.072 12.436 17.662 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.420 13.889 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.657 12.328 15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.204 11.103 16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.386 12.148 17.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.741 12.782 18.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.942 13.707 17.569 1.00 0.00 H new ATOM 271 N LYS A 19 9.367 8.676 12.865 1.00 0.00 N ATOM 272 CA LYS A 19 9.379 7.258 12.513 1.00 0.00 C ATOM 273 C LYS A 19 10.271 7.080 11.294 1.00 0.00 C ATOM 274 O LYS A 19 11.152 6.227 11.282 1.00 0.00 O ATOM 275 CB LYS A 19 7.955 6.766 12.189 1.00 0.00 C ATOM 276 CG LYS A 19 6.984 6.874 13.378 1.00 0.00 C ATOM 277 CD LYS A 19 5.576 6.358 13.036 1.00 0.00 C ATOM 278 CE LYS A 19 4.879 7.236 11.982 1.00 0.00 C ATOM 279 NZ LYS A 19 3.521 6.749 11.639 1.00 0.00 N ATOM 0 H LYS A 19 8.584 9.193 12.466 1.00 0.00 H new ATOM 0 HA LYS A 19 9.756 6.675 13.354 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.560 7.345 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.003 5.727 11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.381 6.307 14.220 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.919 7.914 13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.645 5.335 12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.970 6.330 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.811 8.258 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.489 7.266 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.172 7.256 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.559 5.730 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.879 6.919 12.439 1.00 0.00 H new ATOM 293 N LEU A 20 10.058 7.907 10.270 1.00 0.00 N ATOM 294 CA LEU A 20 10.682 7.741 8.965 1.00 0.00 C ATOM 295 C LEU A 20 12.197 7.906 9.045 1.00 0.00 C ATOM 296 O LEU A 20 12.926 7.127 8.434 1.00 0.00 O ATOM 297 CB LEU A 20 10.053 8.718 7.970 1.00 0.00 C ATOM 298 CG LEU A 20 8.803 8.154 7.272 1.00 0.00 C ATOM 299 CD1 LEU A 20 9.154 7.023 6.295 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.673 7.658 8.182 1.00 0.00 C ATOM 0 H LEU A 20 9.441 8.717 10.328 1.00 0.00 H new ATOM 0 HA LEU A 20 10.501 6.725 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.786 9.636 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.793 8.984 7.215 1.00 0.00 H new ATOM 0 HG LEU A 20 8.418 9.032 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.243 6.653 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.831 7.401 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.637 6.211 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.851 7.286 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.044 6.855 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.319 8.480 8.804 1.00 0.00 H new ATOM 312 N LYS A 21 12.690 8.877 9.823 1.00 0.00 N ATOM 313 CA LYS A 21 14.129 9.042 10.034 1.00 0.00 C ATOM 314 C LYS A 21 14.720 7.839 10.771 1.00 0.00 C ATOM 315 O LYS A 21 15.874 7.496 10.523 1.00 0.00 O ATOM 316 CB LYS A 21 14.392 10.360 10.785 1.00 0.00 C ATOM 317 CG LYS A 21 15.873 10.729 10.984 1.00 0.00 C ATOM 318 CD LYS A 21 16.680 10.793 9.676 1.00 0.00 C ATOM 319 CE LYS A 21 18.038 11.462 9.928 1.00 0.00 C ATOM 320 NZ LYS A 21 18.855 11.570 8.692 1.00 0.00 N ATOM 0 H LYS A 21 12.113 9.559 10.315 1.00 0.00 H new ATOM 0 HA LYS A 21 14.628 9.093 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.904 11.170 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.916 10.300 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.933 11.696 11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.334 9.998 11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.828 9.788 9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.124 11.352 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.878 12.457 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.588 10.890 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.762 12.028 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.032 10.620 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.344 12.138 7.987 1.00 0.00 H new ATOM 334 N GLU A 22 13.957 7.180 11.649 1.00 0.00 N ATOM 335 CA GLU A 22 14.425 5.965 12.300 1.00 0.00 C ATOM 336 C GLU A 22 14.520 4.847 11.263 1.00 0.00 C ATOM 337 O GLU A 22 15.557 4.202 11.182 1.00 0.00 O ATOM 338 CB GLU A 22 13.526 5.586 13.489 1.00 0.00 C ATOM 339 CG GLU A 22 14.268 4.611 14.412 1.00 0.00 C ATOM 340 CD GLU A 22 13.378 4.007 15.509 1.00 0.00 C ATOM 341 OE1 GLU A 22 12.759 4.757 16.298 1.00 0.00 O ATOM 342 OE2 GLU A 22 13.336 2.759 15.614 1.00 0.00 O ATOM 0 H GLU A 22 13.018 7.471 11.920 1.00 0.00 H new ATOM 0 HA GLU A 22 15.418 6.134 12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.243 6.481 14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.604 5.130 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.689 3.804 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.104 5.131 14.879 1.00 0.00 H new ATOM 349 N GLU A 23 13.507 4.650 10.415 1.00 0.00 N ATOM 350 CA GLU A 23 13.533 3.633 9.364 1.00 0.00 C ATOM 351 C GLU A 23 14.707 3.861 8.406 1.00 0.00 C ATOM 352 O GLU A 23 15.365 2.899 8.016 1.00 0.00 O ATOM 353 CB GLU A 23 12.212 3.589 8.581 1.00 0.00 C ATOM 354 CG GLU A 23 11.018 3.111 9.416 1.00 0.00 C ATOM 355 CD GLU A 23 9.856 2.701 8.500 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.140 3.577 7.967 1.00 0.00 O ATOM 357 OE2 GLU A 23 9.676 1.488 8.253 1.00 0.00 O ATOM 0 H GLU A 23 12.644 5.193 10.439 1.00 0.00 H new ATOM 0 HA GLU A 23 13.665 2.669 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.997 4.584 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.331 2.929 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.315 2.266 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.696 3.905 10.090 1.00 0.00 H new ATOM 364 N ALA A 24 15.026 5.122 8.093 1.00 0.00 N ATOM 365 CA ALA A 24 16.161 5.499 7.254 1.00 0.00 C ATOM 366 C ALA A 24 17.520 5.071 7.830 1.00 0.00 C ATOM 367 O ALA A 24 18.526 5.117 7.118 1.00 0.00 O ATOM 368 CB ALA A 24 16.144 7.015 7.042 1.00 0.00 C ATOM 0 H ALA A 24 14.489 5.923 8.425 1.00 0.00 H new ATOM 0 HA ALA A 24 16.049 4.969 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.988 7.304 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.214 7.303 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.217 7.518 8.006 1.00 0.00 H new ATOM 374 N LYS A 25 17.567 4.681 9.108 1.00 0.00 N ATOM 375 CA LYS A 25 18.776 4.264 9.814 1.00 0.00 C ATOM 376 C LYS A 25 18.655 2.805 10.257 1.00 0.00 C ATOM 377 O LYS A 25 19.665 2.102 10.308 1.00 0.00 O ATOM 378 CB LYS A 25 19.000 5.197 11.020 1.00 0.00 C ATOM 379 CG LYS A 25 19.277 6.654 10.598 1.00 0.00 C ATOM 380 CD LYS A 25 19.255 7.639 11.776 1.00 0.00 C ATOM 381 CE LYS A 25 20.372 7.351 12.792 1.00 0.00 C ATOM 382 NZ LYS A 25 20.385 8.329 13.910 1.00 0.00 N ATOM 0 H LYS A 25 16.735 4.647 9.696 1.00 0.00 H new ATOM 0 HA LYS A 25 19.636 4.335 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.121 5.170 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.839 4.828 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.249 6.705 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.533 6.960 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.362 8.656 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.288 7.584 12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.244 6.346 13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.336 7.371 12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.155 8.093 14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.534 9.286 13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.476 8.293 14.413 1.00 0.00 H new ATOM 396 N LYS A 26 17.439 2.327 10.544 1.00 0.00 N ATOM 397 CA LYS A 26 17.177 0.944 10.935 1.00 0.00 C ATOM 398 C LYS A 26 17.195 0.016 9.721 1.00 0.00 C ATOM 399 O LYS A 26 17.456 -1.176 9.891 1.00 0.00 O ATOM 400 CB LYS A 26 15.819 0.865 11.662 1.00 0.00 C ATOM 401 CG LYS A 26 15.857 1.348 13.120 1.00 0.00 C ATOM 402 CD LYS A 26 16.585 0.378 14.066 1.00 0.00 C ATOM 403 CE LYS A 26 16.538 0.837 15.532 1.00 0.00 C ATOM 404 NZ LYS A 26 15.183 0.750 16.136 1.00 0.00 N ATOM 0 H LYS A 26 16.598 2.903 10.509 1.00 0.00 H new ATOM 0 HA LYS A 26 17.966 0.614 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.090 1.461 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.468 -0.167 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.348 2.320 13.160 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.836 1.492 13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.134 -0.611 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.624 0.281 13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.228 0.229 16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.889 1.867 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.266 0.723 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.624 1.581 15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.710 -0.114 15.804 1.00 0.00 H new ATOM 418 N ALA A 27 16.940 0.529 8.514 1.00 0.00 N ATOM 419 CA ALA A 27 16.911 -0.238 7.277 1.00 0.00 C ATOM 420 C ALA A 27 17.587 0.547 6.149 1.00 0.00 C ATOM 421 O ALA A 27 17.871 1.740 6.274 1.00 0.00 O ATOM 422 CB ALA A 27 15.451 -0.581 6.934 1.00 0.00 C ATOM 0 H ALA A 27 16.743 1.520 8.372 1.00 0.00 H new ATOM 0 HA ALA A 27 17.466 -1.168 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.420 -1.156 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.016 -1.170 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.881 0.339 6.809 1.00 0.00 H new ATOM 428 N ASN A 28 17.831 -0.142 5.031 1.00 0.00 N ATOM 429 CA ASN A 28 18.521 0.378 3.845 1.00 0.00 C ATOM 430 C ASN A 28 17.680 1.392 3.044 1.00 0.00 C ATOM 431 O ASN A 28 18.192 2.024 2.120 1.00 0.00 O ATOM 432 CB ASN A 28 18.905 -0.828 2.969 1.00 0.00 C ATOM 433 CG ASN A 28 19.609 -0.438 1.670 1.00 0.00 C ATOM 434 OD1 ASN A 28 20.771 -0.041 1.676 1.00 0.00 O ATOM 435 ND2 ASN A 28 18.936 -0.569 0.538 1.00 0.00 N ATOM 0 H ASN A 28 17.543 -1.114 4.922 1.00 0.00 H new ATOM 0 HA ASN A 28 19.403 0.931 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.555 -1.490 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.005 -1.394 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.382 -0.339 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.971 -0.900 0.554 1.00 0.00 H new ATOM 442 N ILE A 29 16.388 1.529 3.363 1.00 0.00 N ATOM 443 CA ILE A 29 15.416 2.282 2.572 1.00 0.00 C ATOM 444 C ILE A 29 15.798 3.757 2.372 1.00 0.00 C ATOM 445 O ILE A 29 16.481 4.363 3.203 1.00 0.00 O ATOM 446 CB ILE A 29 13.987 2.078 3.133 1.00 0.00 C ATOM 447 CG1 ILE A 29 13.738 2.427 4.618 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.615 0.596 2.968 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.570 3.922 4.901 1.00 0.00 C ATOM 0 H ILE A 29 15.983 1.108 4.199 1.00 0.00 H new ATOM 0 HA ILE A 29 15.428 1.873 1.562 1.00 0.00 H new ATOM 0 HB ILE A 29 13.383 2.783 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.843 1.904 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.571 2.050 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.611 0.427 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.645 0.329 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.325 -0.021 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.400 4.074 5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.472 4.453 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.718 4.305 4.339 1.00 0.00 H new ATOM 461 N ARG A 30 15.350 4.334 1.251 1.00 0.00 N ATOM 462 CA ARG A 30 15.522 5.753 0.949 1.00 0.00 C ATOM 463 C ARG A 30 14.407 6.532 1.635 1.00 0.00 C ATOM 464 O ARG A 30 13.285 6.045 1.784 1.00 0.00 O ATOM 465 CB ARG A 30 15.484 5.937 -0.585 1.00 0.00 C ATOM 466 CG ARG A 30 15.799 7.360 -1.079 1.00 0.00 C ATOM 467 CD ARG A 30 15.669 7.479 -2.604 1.00 0.00 C ATOM 468 NE ARG A 30 16.658 6.655 -3.323 1.00 0.00 N ATOM 469 CZ ARG A 30 16.424 5.513 -3.987 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.206 4.975 -4.038 1.00 0.00 N ATOM 471 NH2 ARG A 30 17.430 4.901 -4.604 1.00 0.00 N ATOM 0 H ARG A 30 14.853 3.821 0.523 1.00 0.00 H new ATOM 0 HA ARG A 30 16.478 6.126 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.196 5.246 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.495 5.655 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.122 8.068 -0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.811 7.633 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.665 7.179 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.790 8.522 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 30 17.622 6.988 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.426 5.432 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.053 4.106 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.368 5.300 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.264 4.032 -5.112 1.00 0.00 H new ATOM 485 N VAL A 31 14.707 7.772 1.996 1.00 0.00 N ATOM 486 CA VAL A 31 13.731 8.747 2.457 1.00 0.00 C ATOM 487 C VAL A 31 14.049 10.069 1.764 1.00 0.00 C ATOM 488 O VAL A 31 15.212 10.366 1.472 1.00 0.00 O ATOM 489 CB VAL A 31 13.710 8.879 3.996 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.204 7.591 4.661 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.071 9.267 4.591 1.00 0.00 C ATOM 0 H VAL A 31 15.660 8.136 1.976 1.00 0.00 H new ATOM 0 HA VAL A 31 12.725 8.420 2.195 1.00 0.00 H new ATOM 0 HB VAL A 31 13.018 9.694 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.202 7.717 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.191 7.378 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.859 6.762 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.986 9.343 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.809 8.506 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.385 10.228 4.184 1.00 0.00 H new ATOM 501 N THR A 32 13.005 10.854 1.526 1.00 0.00 N ATOM 502 CA THR A 32 13.088 12.167 0.907 1.00 0.00 C ATOM 503 C THR A 32 12.014 13.016 1.586 1.00 0.00 C ATOM 504 O THR A 32 10.922 12.521 1.872 1.00 0.00 O ATOM 505 CB THR A 32 12.879 12.058 -0.620 1.00 0.00 C ATOM 506 OG1 THR A 32 13.506 10.905 -1.166 1.00 0.00 O ATOM 507 CG2 THR A 32 13.441 13.289 -1.339 1.00 0.00 C ATOM 0 H THR A 32 12.051 10.585 1.766 1.00 0.00 H new ATOM 0 HA THR A 32 14.069 12.625 1.037 1.00 0.00 H new ATOM 0 HB THR A 32 11.802 11.986 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.348 10.874 -2.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.281 13.188 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.933 14.184 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.509 13.372 -1.137 1.00 0.00 H new ATOM 515 N PHE A 33 12.329 14.278 1.872 1.00 0.00 N ATOM 516 CA PHE A 33 11.500 15.137 2.704 1.00 0.00 C ATOM 517 C PHE A 33 11.312 16.467 1.976 1.00 0.00 C ATOM 518 O PHE A 33 12.294 17.164 1.708 1.00 0.00 O ATOM 519 CB PHE A 33 12.189 15.332 4.071 1.00 0.00 C ATOM 520 CG PHE A 33 12.593 14.064 4.817 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.613 13.139 5.218 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.940 13.825 5.159 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.959 12.014 5.987 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.290 12.691 5.920 1.00 0.00 C ATOM 525 CZ PHE A 33 13.297 11.797 6.354 1.00 0.00 C ATOM 0 H PHE A 33 13.174 14.733 1.528 1.00 0.00 H new ATOM 0 HA PHE A 33 10.521 14.691 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.082 15.938 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.520 15.906 4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.583 13.294 4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.707 14.514 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.195 11.316 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.325 12.509 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.561 10.948 6.966 1.00 0.00 H new ATOM 535 N TRP A 34 10.067 16.816 1.643 1.00 0.00 N ATOM 536 CA TRP A 34 9.735 18.115 1.067 1.00 0.00 C ATOM 537 C TRP A 34 9.274 19.070 2.166 1.00 0.00 C ATOM 538 O TRP A 34 8.706 18.643 3.175 1.00 0.00 O ATOM 539 CB TRP A 34 8.653 17.943 -0.012 1.00 0.00 C ATOM 540 CG TRP A 34 9.209 17.507 -1.335 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.523 18.341 -2.351 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.590 16.170 -1.792 1.00 0.00 C ATOM 543 NE1 TRP A 34 10.092 17.630 -3.386 1.00 0.00 N ATOM 544 CE2 TRP A 34 10.174 16.287 -3.092 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.515 14.871 -1.243 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.678 15.182 -3.794 1.00 0.00 C ATOM 547 CZ3 TRP A 34 10.003 13.756 -1.948 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.587 13.907 -3.217 1.00 0.00 C ATOM 0 H TRP A 34 9.262 16.203 1.767 1.00 0.00 H new ATOM 0 HA TRP A 34 10.620 18.544 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.922 17.210 0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.122 18.886 -0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.353 19.408 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.412 18.047 -4.260 1.00 0.00 H new ATOM 0 HE3 TRP A 34 9.076 14.732 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.130 15.311 -4.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.928 12.772 -1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.964 13.044 -3.746 1.00 0.00 H new ATOM 559 N GLY A 35 9.498 20.370 1.959 1.00 0.00 N ATOM 560 CA GLY A 35 8.922 21.407 2.807 1.00 0.00 C ATOM 561 C GLY A 35 7.426 21.522 2.504 1.00 0.00 C ATOM 562 O GLY A 35 6.608 21.598 3.422 1.00 0.00 O ATOM 0 H GLY A 35 10.081 20.728 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.076 21.163 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.418 22.361 2.625 1.00 0.00 H new ATOM 566 N ASP A 36 7.070 21.464 1.217 1.00 0.00 N ATOM 567 CA ASP A 36 5.717 21.344 0.685 1.00 0.00 C ATOM 568 C ASP A 36 5.825 20.827 -0.746 1.00 0.00 C ATOM 569 O ASP A 36 4.998 19.983 -1.142 1.00 0.00 O ATOM 570 CB ASP A 36 4.994 22.697 0.674 1.00 0.00 C ATOM 571 CG ASP A 36 3.682 22.606 -0.124 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.687 22.056 0.402 1.00 0.00 O ATOM 573 OD2 ASP A 36 3.624 23.122 -1.263 1.00 0.00 O ATOM 574 OXT ASP A 36 6.774 21.239 -1.449 1.00 0.00 O ATOM 0 H ASP A 36 7.768 21.502 0.474 1.00 0.00 H new ATOM 0 HA ASP A 36 5.144 20.664 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.783 23.010 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.641 23.457 0.235 1.00 0.00 H new TER 579 ASP A 36